ergo
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#include "realtype.h"
Go to the source code of this file.
Typedefs | |
typedef ergo_real | real |
Functions | |
int | ll_npoint (int lvalue) |
ll_npoint returns number of angular grid points for given L-angular polynomial integration accuracy. More... | |
int | ll_order (int npoint) |
ll_order returns order of the smallest angular grid that has at least that many grid points as specified. More... | |
int | ll_sphere (int N, real *X, real *Y, real *Z, real *W) |
ll_sphere fills in arrays X, Y, Z and W with the cartesian coordinates and weights of the grid points. More... | |
Headers of lebedev_laikov.c. Based on V.I. Lebedev, and D.N. Laikov "A quadrature formula for the sphere of the 131st algebraic order of accuracy" Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481.
int ll_npoint | ( | int | lvalue | ) |
ll_npoint returns number of angular grid points for given L-angular polynomial integration accuracy.
lvalue | : grid complete through this value of angular momentum quantum number l. |
Referenced by RadialGrid::setAngularFixed().
int ll_order | ( | int | npoint | ) |
ll_order returns order of the smallest angular grid that has at least that many grid points as specified.
Referenced by RadialGrid::setAngularFixed().
ll_sphere fills in arrays X, Y, Z and W with the cartesian coordinates and weights of the grid points.
N | one of the possible values returned by ll_npoint(). |
X | x cartesian coordinates of the grid points. |
Y | y cartesian coordinates of the grid points. |
Z | z cartesian coordinates of the grid points. |
W | associated weights. |
Referenced by Stream::saveAtomGridInBox().